SCHEMBL506659

SCHEMBL506659

O=C(NCCCSc1c(Cl)ccc2c1CCNCC2OC(=O)C(F)(F)F)Nc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
EPHX1 P07099 4/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 3/20 0.33
GBA1 P04062 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CNR1 P21554 2/20 0.32
MAPT P10636 1/20 0.32
CASR P41180 1/20 0.32
TSHR P16473 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL507753 0.89 SLC6A2 (0.34) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2369820 0.83 MRGPRX4 (0.34)
SCHEMBL507038 0.82 RAB9A (0.36) SMN1; SMN2LMNAALDH1A1HTTMEN1
SCHEMBL507853 0.81 TBXA2R (0.36) PKMSMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL2369383 0.80 GFER (0.34)
Trifluoroacetic Acid SCHEMBL506658 0.80 PKM (0.38) PKMSMN1; SMN2EPHX1LMNAALDH1A1
SCHEMBL507960 0.78 SMN1; SMN2 (0.33) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL10229248 0.78 PKM (0.41) PKMSMN1; SMN2EPHX1LMNAALDH1A1
SCHEMBL507819 0.76 HTR2C (0.30)
SCHEMBL10476322 0.76 LMNA (0.31) LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 PKM 4612/4885SMN1; SMN2 1853/4885EPHX1 1892/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A PKM 4340/4885SMN1; SMN2 2954/4885EPHX1 1281/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.